N-[3-(4-tert-butylphenyl)carbonylphenyl]-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-[3-(4-tert-butylphenyl)carbonylphenyl]-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[3-(4-tert-butylbenzoyl)phenyl]-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-[3-[(4-tert-butylphenyl)-oxomethyl]phenyl]-1-[(2-fluorophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[3-(4-tert-butylbenzoyl)phenyl]-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[3-(4-tert-butylbenzoyl)phenyl]-1-(2-fluorobenzyl)sulfonyl-isonipecotamide Formula: C30H33FN2O4S MolecularWeight: 536.657423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4F

InChI

InChI=1S/C30H33FN2O4S/c1-30(2,3)25-13-11-21(12-14-25)28(34)23-8-6-9-26(19-23)32-29(35)22-15-17-33(18-16-22)38(36,37)20-24-7-4-5-10-27(24)31/h4-14,19,22H,15-18,20H2,1-3H3,(H,32,35)